SCHEMBL10506972

SCHEMBL10506972

Nc1ccc(Oc2ncc(Br)cn2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
MAOA P21397 1/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
S1PR4 O95977 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
KIF11 P52732 1/20 0.31
NR1H2 P55055 1/20 0.31
AR P10275 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10510242 0.85 GAA (0.42) GAAGLAPOLBTSHRTP53
SCHEMBL10509954 0.85 GLA (0.42) GAAGLAPOLBTSHRRXRA
SCHEMBL29404322 0.79 GAA (0.59) GAAGLAPOLBTSHRMAOA
SCHEMBL436804 0.79 GAA (0.59) GAAGLAPOLBTSHRMAOA
SCHEMBL10506895 0.78 MRGPRX1 (0.41) GAAPOLBMAOARXRAGRIN1
Hydrochloric Acid SCHEMBL8863493 0.77 GAA (0.57) GAAGLAPOLBTSHRMAOA
SCHEMBL9770766 0.77 CYP1A2 (0.47) GAAPOLBTP53MAPTSMN1; SMN2
SCHEMBL9635890 0.77 CYP3A4 (0.38) GAAPOLBTSHRMAPTL3MBTL1
SCHEMBL10509673 0.77 CYP1A2 (0.48) POLBMAPTS1PR4ARKMT2A
SCHEMBL12595074 0.76 KMT2A (0.53) GAAGLAPOLBTSHRTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164694-B1 N-BENZOYL-N'-PYRIMIDINYLOXYPHENYL UREA COMPOUNDS, AND ANTITUMOROUS COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION ISHIHARA SANGYO KAISHA, LTD. (JP) 1989-12-06 EP disclosed
US-4677110-A N-benzoyl-N'-pyrimidinyloxyphenyl urea compounds, and antitumorous compositions containing them ISHIHARA SANGYO KAISHA LTD. (JP) 1987-06-30 US disclosed
EP-0164694-A2 N-Benzoyl-N'-pyrimidinyloxyphenyl urea compounds, and antitumorous compositions containing them, and process for their preparation ISHIHARA SANGYO KAISHA, LTD. (JP) 1985-12-18 EP disclosed